[email protected]
CAS 99822-50-1 [1,4]Diazepan-2-one molecular structure lightbox
CAS RN: 99822-50-1

[1,4]Diazepan-2-one

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 1g In stock Shanghai Inquiry
Batchno.20260611 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250926 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-213357
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99822-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

99822-50-1 / 1,4-diazepan-2-one

Standard CAS: 99822-50-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99822-50-1
Multi CAS
Yes
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
InChI
InChI=1S/C5H10N2O/c8-5-4-6-2-1-3-7-5/h6H,1-4H2,(H,7,8)
InChIKey
DRRVROVYLJHJIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.5
TPSA
41.13

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.81
XLogP3
-0.7
Consensus LogP
-0.8
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us